Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6021428078
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-6021428078.sdf |
| SMILES | MCULE-6021428078.smiles |
| Standard InChI | MCULE-6021428078.inchi |
| InChIKey | MCULE-6021428078.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852119874 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889945991 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-34883876 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436473423 | Alinda | Building Blocks | 95 | As is | in stock |
| P-5112581 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-454733467 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-619309604 | ChemDiv | Discovery Chemistry Library | 90 | As is | 18 mg |
| P-36941 | Chemical Block | Screening Library | 90 | As is | 3 mg |
| P-861524270 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862070036 | FluoroChem | General BB | N/A | As is | in stock |
| P-890212755 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579523978 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-502442755 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-503002788 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502588105 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503318635 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-855977695 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852533338 | Matrix Scientific | All | N/A | As is | in stock |
| P-18917003 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491121825 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-454112554 | Specs | Screening Compounds | 90 | As is | 256 mg |
| P-33442370 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502374268 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888453824 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855325824 | Toronto Research | In stock | 90 | As is | in stock |
| P-395018 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.065 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 330.175 |
| logP | 3.2861 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.0515 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
